ethyl 2-[[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[3-[(4-bromo-1-pyrazolyl)methyl]anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H23BrN4O2S2 MolecularWeight: 555.50972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC(=C3)CN4C=C(C=N4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC(=C3)CN4C=C(C=N4)Br

InChI

InChI=1S/C25H23BrN4O2S2/c1-2-32-24(31)22-13-21(12-17-7-4-3-5-8-17)34-23(22)29-25(33)28-20-10-6-9-18(11-20)15-30-16-19(26)14-27-30/h3-11,13-14,16H,2,12,15H2,1H3,(H2,28,29,33)